N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine

C13H20N4S — CID 63617064

IUPACN'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1cc2c(N(C)CCNC(C)C)ncnc2s1
InChIInChI=1S/C13H20N4S/c1-9(2)14-5-6-17(4)12-11-7-10(3)18-13(11)16-8-15-12/h7-9,14H,5-6H2,1-4H3
InChIKeyCXXKESQXWLLYQH-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.43
Rot. Bonds5

About N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine

N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 63617064) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID63617064
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1cc2c(N(C)CCNC(C)C)ncnc2s1
InChIInChI=1S/C13H20N4S/c1-9(2)14-5-6-17(4)12-11-7-10(3)18-13(11)16-8-15-12/h7-9,14H,5-6H2,1-4H3
InChIKeyCXXKESQXWLLYQH-UHFFFAOYSA-N
XLogP2.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine (CID 63617064) is N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine is Cc1cc2c(N(C)CCNC(C)C)ncnc2s1.
What is the InChIKey of N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is CXXKESQXWLLYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-9(2)14-5-6-17(4)12-11-7-10(3)18-13(11)16-8-15-12/h7-9,14H,5-6H2,1-4H3.
What are the key properties of N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine?
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63617064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).